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CAS 69284-93-1 Bis(2,4-di-tert-butylphenylphosphate molecular structure lightbox
CAS RN: 69284-93-1

Bis(2,4-di-tert-butylphenylphosphate

  • Product code: SSC-178907
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 69284-93-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

69284-93-1 / bis(2,4-ditert-butylphenyl) hydrogen phosphate

Standard CAS: 69284-93-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
69284-93-1
Multi CAS
No
Molecular Formula
C28H43O4P
Molecular Weight
474.600000
Exact Mass
474.289897
InChI
InChI=1S/C28H43O4P/c1-25(2,3)19-13-15-23(21(17-19)27(7,8)9)31-33(29,30)32-24-16-14-20(26(4,5)6)18-22(24)28(10,11)12/h13-18H,1-12H3,(H,29,30)
InChIKey
GUDSEWUOWPVZPC-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.57
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
138.77
TPSA
55.76

LogP / Solubility

WLOGP
8.43
MLOGP
7.46
XLogP3
9.3
Consensus LogP
8.4
Log S (ESOL)
-8.1
Class (ESOL)
Insoluble
Log S (Ali)
-9.54
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.23
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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